Molecule ID: mol29333
SMILES: O=C(O)C1Cc2ccccc2N1
InChI: InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.28 | AttenGpKa training set | 1 » 0 |
| 5.10 | AttenGpKa training set | 0 » -1 |